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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004612

[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-15-acetyloxy-4,14-dihydroxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

Formula: C35H46O16  |  Mol. Weight: 722.70 g/mol

IUPAC: [(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-15-acetyloxy-4,14-dihydroxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

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Overview

Molecular Formula C35H46O16
Molecular Weight 722.70 g/mol
Canonical SMILES CC(=O)OC1C(C2C3(C(CCC(C3=O)O)CC4C2(C(C1(C)O)CC(O4)OC5C(C(C(C(O5)CO)O)O)O)C)C)OC(=O)C6=CC7=C(C=C6)OCO7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy